6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine

C16H22N2O2S2 — CID 133374020

IUPAC6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCCc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-5-13-7-8-14(21-13)11-17-12-6-9-15(18-10-12)22(19,20)16(2,3)4/h6-10,17H,5,11H2,1-4H3
InChIKeyKSKCWCGVEQCEQW-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.89
Rot. Bonds5

About 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine (PubChem CID 133374020) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
PubChem CID133374020
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCCc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-5-13-7-8-14(21-13)11-17-12-6-9-15(18-10-12)22(19,20)16(2,3)4/h6-10,17H,5,11H2,1-4H3
InChIKeyKSKCWCGVEQCEQW-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103934195
6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
CID 75379530
2-[5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82886723
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 71920326
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 104624407
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63120598
N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 62347146
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine (CID 133374020) is 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine is CCc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)s1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine?
The InChIKey is KSKCWCGVEQCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-5-13-7-8-14(21-13)11-17-12-6-9-15(18-10-12)22(19,20)16(2,3)4/h6-10,17H,5,11H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine has a molecular weight of 338.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 133374020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).